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Yan Zhi, Fang Cheng, Wang Fang, Xu Xiao-Hong.First-principles calculations of structural and magnetic properties of SmCo3alloys doped with transition metal elements. Acta Physica Sinica, 2024, 73(3): 037502.doi:10.7498/aps.73.20231436 |
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Zhang Lei, Chen Qi-Hang, Cao Shuo, Qian Ping.Carrier Mobility in Monolayer IrSCl and IrSI Based on First-Principles Calculations. Acta Physica Sinica, 2024, 73(21): .doi:10.7498/aps.73.20241044 |
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Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
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.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
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Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui.Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica, 2019, 68(24): 246301.doi:10.7498/aps.68.20191258 |
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Zhang Zhao-Fu, Zhou Tie-Ge, Zuo Xu.First-principles calculations of h-BN monolayers by doping with oxygen and sulfur. Acta Physica Sinica, 2013, 62(8): 083102.doi:10.7498/aps.62.083102 |
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Gao Shang-Peng, Zhu Tong.Quasiparticle band structure calculation for SiC using self-consistent GW method. Acta Physica Sinica, 2012, 61(13): 137103.doi:10.7498/aps.61.137103 |
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Sun Wei-Feng, Zheng Xiao-Xia.First-principles study of interface relaxation effects on interface structure, band structure and optical property of InAs/GaSb superlattices. Acta Physica Sinica, 2012, 61(11): 117301.doi:10.7498/aps.61.117301 |
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Deng Jiao-Jiao, Liu Bo, Gu Mu, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen.First principles calculation of electronic structures and optical properties for -CuX(X = Cl, Br, I). Acta Physica Sinica, 2012, 61(3): 036105.doi:10.7498/aps.61.036105 |
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Wang Zhi-Gang, Zhang Yang, Wen Yu-Hua, Zhu Zi-Zhong.First-principles calculation of structural stability and electronic properties of ZnO atomic chains. Acta Physica Sinica, 2010, 59(3): 2051-2056.doi:10.7498/aps.59.2051 |
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Gu Mu, Lin Ling, Liu Bo, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen.Fist-principle calculation for electronic structure of M’-GdTaO4. Acta Physica Sinica, 2010, 59(4): 2836-2842.doi:10.7498/aps.59.2836 |
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai.Effect of Nb on electronic structure of NiTi intermetallic compound: A first-principles study. Acta Physica Sinica, 2010, 59(1): 515-520.doi:10.7498/aps.59.515 |
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Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao.Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica, 2010, 59(5): 3414-3417.doi:10.7498/aps.59.3414 |
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Wang Wei, Sun Jia-Fa, Liu Mei, Liu Su.First-principles calculations on the electronic band structure of β-Pyrochlore superconductors AOs2O6 (A=K,Rb,Cs). Acta Physica Sinica, 2009, 58(8): 5632-5639.doi:10.7498/aps.58.5632 |
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Ming Xing, Fan Hou-Gang, Hu Fang, Wang Chun-Zhong, Meng Xing, Huang Zu-Fei, Chen Gang.First-principles study on the electronic structures of spin-Peierls compound GeCuO3. Acta Physica Sinica, 2008, 57(4): 2368-2373.doi:10.7498/aps.57.2368 |
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Song Jian-Jun, Zhang He-Ming, Dai Xian-Ying, Hu Hui-Yong, Xuan Rong-Xi.Band structure of strained Si/(111)Si1-xGex: a first principles investigation. Acta Physica Sinica, 2008, 57(9): 5918-5922.doi:10.7498/aps.57.5918 |
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai.Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica, 2008, 57(12): 7794-7799.doi:10.7498/aps.57.7794 |
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Liu Li-Hua, Zhang Ying, Lü Guang-Hong, Deng Sheng-Hua, Wang Tian-Min.First-principles study of the effects of Sr segregated on Al grain boundary. Acta Physica Sinica, 2008, 57(7): 4428-4433.doi:10.7498/aps.57.4428 |
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Sun Bo, Liu Shao-Jun, Duan Su-Qing, Zhu Wen-Jun.First-principles calculations of structures, properties and high pressures effects of Fe. Acta Physica Sinica, 2007, 56(3): 1598-1602.doi:10.7498/aps.56.1598 |
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Wu Yun-Wen, Hai Wen-Hua, Cai Li-Hua.Energy band structure of two ions in a one-dimensional Paul trap. Acta Physica Sinica, 2006, 55(2): 583-589.doi:10.7498/aps.55.583 |
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